HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pivalic acid → HCID 18002590, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Pivalic acid | HCID 6417 | — |
| Reactant | 4-Hydrazinobenzonitrile | HCID 583784 | — |
| Reactant | Methyl 4-oxothiochromane-3-carboxylate | HCID 13017520 | — |
| Product | HCID 18002590 | HCID 18002590 | 84.8% |
Reaction Steps
4-Oxo-thiochroman-3-carboxylic acid methyl ester (0.200 g, 0.90 mmol), 4-cyanophenylhydrazine (0.132 g, 0.99 mmol) together with a small amount of pivalic acid was heated at 118° C. in an oil bath under N2. After 1 h the mixture was cooled to room temperature and then triturated with ether. The precipitate was filtered and dried to yield 4-(3-oxo-1,4-dihydro-3H-thiochromeno[4,3-c]pyrazol-2-yl)-benzonitrile (0.233 g): 1H NMR (400 MHz, DMSO-d6) δ 8.06 (2H, d), 7.92 (2H, d), 7.80-7.83 (1H, m), 7.30-7.33 (1H, m), 7.18-7.25 (2H, m), 3.91 (2H, s).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06642249B2 |
| Source dataset | uspto-grants-2003_11 |
| ORD ID | ord-ad405524ce0b4405bbee545b87a7e565 |
| Source note | uspto-grants-2003_11 |